BDBM50039492 CHEMBL1231498

SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O

InChI Key InChIKey=KBOGUFFJCBPJEH-SQGSUPJISA-N

Data  3 KI  1 IC50  1 Kd

PDB links: 4 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50039492   

TargetBifunctional ligase/repressor BirA(Escherichia coli (strain K12))
University of Adelaide

Curated by ChEMBL
LigandPNGBDBM50039492(CHEMBL1231498)
Affinity DataKi:  87nMAssay Description:Inhibition of Escherichia coli recombinant BPL using 3H-biotin as substrate after 10 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetBiotin--protein ligase(Human)
University of Adelaide

Curated by ChEMBL
LigandPNGBDBM50039492(CHEMBL1231498)
Affinity DataKi:  182nMAssay Description:Inhibition of human recombinant BPL using 3H-biotin as substrate after 10 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBiotin--protein ligase(Human)
University of Adelaide

Curated by ChEMBL
LigandPNGBDBM50039492(CHEMBL1231498)
Affinity DataKi:  7.54E+5nMAssay Description:Inhibition of human recombinant HLCS using P67 as substrate after 2 hrs relative to vehicle-treated controlMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBifunctional ligase/repressor BirA(Escherichia coli (strain K12))
University of Adelaide

Curated by ChEMBL
LigandPNGBDBM50039492(CHEMBL1231498)
Affinity DataKd:  1.5nMAssay Description:Binding affinity to Escherichia coli biotin protein ligaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetBiotin--protein ligase(Human)
University of Adelaide

Curated by ChEMBL
LigandPNGBDBM50039492(CHEMBL1231498)
Affinity DataIC50:  8.80E+3nMAssay Description:Inhibition of human recombinant HLCS using P67 as substrate after 2 hrs relative to vehicle-treated controlMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed